General Information of the Compound
| Compound ID |
CP0379370
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| Compound Name |
4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-butylamino]butanoic acid
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| Structure |
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| Formula |
C22H28N2O4S
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| Molecular Weight |
416.543
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| Canonical SMILES |
CCCCN(CCCC(O)=O)C(=O)C1(C)CCN1C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C22H28N2O4S/c1-3-4-12-23(13-7-10-19(25)26)21(28)22(2)11-14-24(22)20(27)17-15-29-18-9-6-5-8-16(17)18/h5-6,8-9,15H,3-4,7,10-14H2,1-2H3,(H,25,26)
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| InChIKey |
KCGIACZGGGVCAD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound